Bonding theories

Part 1 of ebook "Reinforced concrete design to Eurocodes: Design theory and examples (Fourth edition)" provides readers with contents including: Chapter 1 - Introduction; Chapter 2 - Materials, structural failures and durability; Chapter 3 - Limit state design and structural analysis; Chapter 4 - Section design for moment; Chapter 5 - Shear, bond and torsion; Chapter 6 - Serviceability limit state checks; Chapter 7 - Simply supported beams; Chapter 8 - Reinforced concrete slabs; Chapter 9 - Columns;...

413p mothoiphong 28-06-2024 1 1   Download

The geometries and relative stabilities of 15 tautomeric forms and the corresponding isomers of the studied molecules have been identified and their relative stabilities are investigated. The potential energy profiles and intrinsic reaction coordinates (IRC) calculations along the proton transfer coordinates both in the ground and in the excited state are monitored as well. The impact of the donating (OMe) and withdrawing (NO2) groups on the single and double proton transfers are investigated both in the gas phase and solution.

9p dianmotminh02 03-05-2024 4 1   Download

Ebook "The chemical bond I: 100 years old and getting stronger" provides an indication of how the basic ideas introduced by Lewis and Kossel have blossomed over the last century as a result of the nourishment provided by quantum theory and the love and attention bestowed on them by successive generations of chemists.

257p tracanhphuonghoa1007 22-04-2024 2 2   Download

Ebook "Specific intermolecular interactions of element-organic compounds" extends the development of the thermodynamic theory of specific intermolecular interactions to element-organic and specific organometallic compounds. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated, based on a concept of pentacoordinate carbon atoms. Prof.

300p tracanhphuonghoa1007 22-04-2024 3 3   Download

Ebook "Practical aspects of computational chemistry IV" covers recent developments and current applications covering nanomaterials, hydrogen-bonded clusters, semiempirical local coupled-cluster theory, charge-transfer coupling, ro-vibrational energy levels, relativistic effects and quantum electrodynamics in chemistry, mechanochemistry, passivation on metal oxide surfaces, and nano-QSAR.

400p tracanhphuonghoa1007 22-04-2024 3 3   Download

Part 2 book "Quantum mechanics" includes content: Time - Independent perturbation theory, the varlation method, WKB approximation, time-dependent perturbation theory, many electronatoms, scattering, relativistic wave equations, elements of field quantization, chemical bonding.

266p muasambanhan10 11-04-2024 7 1   Download

Part 1 book "Problems in solid state physics with solutions" includes content: Drude theory of metals, sommerfeld theory of metals, bravais lattice, point groups, classification of bravais lattices, space groups of crystal structures, scattering of X-rays by a crystal, reciprocal lattice, X-ray diffraction on crystals, crystal structure by neutron diffraction, bonding in solids, cohesion of solids, normal modes of lattice vibrations, quantum theory of lattice vibrations, inelastic neutron scattering by phonons, origin of electronic energy bands.

146p muasambanhan10 06-04-2024 1 0   Download

Part 1 of ebook "Surface treatment of materials for adhesive bonding (Second edition)" includes the following main contents: Chapter 1 - Introduction to surface preparation; Chapter 2 - Surface tension and its measurement; Chapter 3 - Surface energy of solids and its measurement; Chapter 4 - Surface and material characterization techniques; Chapter 5 - Theories of adhesion; Chapter 6 - Material surface preparation techniques; Chapter 7 - Surface preparation of metals;...

185p khuynhlinhnguyet1009 05-04-2024 4 1   Download

Ebook "Electronic effects in organic chemistry (Topics in Current chemistry, Volume 351)" deals with the concepts of electronic structure and associated methods in the context of organic chemistry and provides some answers to the questions above. As all authors are considering some kind of electronic effects, the main emphasis of the book lies in theoretical contributions, because one of the most important sections in theoretical chemistry is electronic structure theory.

197p tudohanhtau1006 29-03-2024 2 1   Download

Ebook "Specific intermolecular interactions of nitrogenated and bioorganic compounds" development of the thermodynamic theory of specific intermolecular interactions to a wider spectrum of nitrogenated and bioorganic compounds: amino alcohols, amino acids, peptides and urea derivatives. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of penta- coordinated carbon atoms.

603p tudohanhtau1006 29-03-2024 3 1   Download

Ebook "Self-assembly of flat organic molecules on metal surfaces: A theoretical characterisation" is devoted to ab initio studies of self-assembled organic molecules on a gold surface. This area of research is particularly vibrant because of the various applications such studies have in nanoscience and surface chemistry and physics. In this thesis Manuela Mura uses theory to suggest atomistic models for the observed assembled and she proposes an assembly mechanism.

181p coduathanh1122 27-03-2024 3 1   Download

Ebook "Specific intermolecular interactions of organic compounds" presents the development of the thermodynamic theory of specific intermolecular interactions for a wide spectrum of organic compounds: ethers, ketones, alcohols, carboxylic acids, and hydrocarbons. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of pentacoordinate carbon atoms.

451p coduathanh1122 27-03-2024 2 1   Download

Ebook "Chemical bonds outside metal surfaces (Physics of solids and liquids)" focuses mainly on the theory and concepts involved; however, it is intended for readers in chemistry, physics, and materials science who are not specialists in theory but nevertheless wish to learn more about this truly interdisciplinary area of theoretical science. The aim of the book is to present the way in which valence theory can be synthesized with the understanding of metals that has been gained over the last half century or so.

291p coduathanh1122 27-03-2024 2 1   Download

Ebook "Schaum's outline of Theory and problems of Beginning chemistry (Third edition)" is designed to help students do well in their first chemistry course, especially those who have little or no chemistry background. It can be used effectively in a course preparatory to a general college chemistry course as well as in a course in chemistry for liberal arts students. It should also provide additional assistance to students in the first semester of a chemistry course for nurses and others in the allied health fields.

361p coduathanh1122 27-03-2024 5 1   Download

Part 2 book "Elementary methods of molecular quantum mechanics" includes content: Molecular symmetry and group theoretical methods, angular momentum methods for atoms, valence bond theory and the chemical bond, rayleigh–schroedinger perturbation methods for stationary states, atomic and molecular interactions, evaluation of molecular integrals over stos.

363p muasambanhan08 23-02-2024 3 1   Download

Part 2 book "Solid-state physics for electronics" includes content: Electronic properties of copper and silicon; strong bonds in one dimension; strong bonds in three dimensions - band structure of diamond and silicon; limits to classical band theory - amorphous media; the principal quasi particles in material physics.

217p muasambanhan06 01-02-2024 1 1   Download

Ebook "A new-generation density functional: Towards chemical accuracy for chemistry of main group elements" covers the most recent progress in the development of a new generation of density functional theory (DFT) for accurate descriptions of thermochemistry, thermochemical kinetics, and nonbonded interactions of main group molecules. In this book, the authors present the doubly hybrid density functionals (DHDFs), which dramatically improve the accuracy for predictions of critical properties by including the role of the virtual (unoccupied) orbitals.

115p nhanphanguyet 28-01-2024 3 2   Download

Ebook "Bond valences (Structure and Bonding, Volume 158)" have seen applications of bond valence theory extended from the simple validation of crystal structure determinations to the prediction of the structure and bonding geometry of complex materials, to the exploration of structure-related properties such as ionic conduction, and to the study of the chemistry of surfaces and interfaces.

266p nhanphanguyet 28-01-2024 6 2   Download

Part 1 of ebook "Principles of corporate finance (12th edition)" provides readers with contents including: introduction to corporate finance; how to calculate present values; valuing bonds; the value of common stocks; net present value and other investment criteria; making investment decisions with the net present value rule; introduction to risk and return; portfolio theory and the capital asset pricing model; risk and the cost of capital; best practices in capital budgeting;...

438p tuongnhuoclan 27-11-2023 8 4   Download

Hydrogen bonding on two-dimensional silicon carbide (2D SiC) was studied using molecular dynamics and ab initio calculations. By investigating a converged density functional theory (DFT) calculation, the stable bonding sites of a hydrogen atom on the 2D SiC were found at the top sites (TSi and TC, of which TSi is a more stable adsorption site).

8p vijeff 30-11-2023 3 2   Download